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Target
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Ligand
BDBM144713
Substrate
n/a
Meas. Tech.
IMAP TR-FRET Assay
Temperature
298.15±n/a K
IC50
2.26±n/a nM
Comments
extracted
Citation
 Allen, JR; Frohn, MJ; Harrington, PE; Hu, E; Pickrell, AJ; Rzasa, RM; Sham, KK Heteroaryloxycarbocyclyl compounds as PDE10 inhibitors US Patent  US8952037 Publication Date 2/10/2015 
Target
Name:
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
Synonyms:
3',5'-cyclic phosphodiesterase | 3.1.4.17 | PDE10A | PDE10_HUMAN | Phosphodiesterase 10 (PDE10) | Phosphodiesterase 10A
Type:
Protein
Mol. Mass.:
88412.52
Organism:
Homo sapiens (Human)
Description:
Q9Y233
Residue:
1055
Sequence:
MASLEEPLAPRPQGPLPAAGDEPGCGPGKLRPEPRLSAAGGGSAAGPGPAPEWPGRGRAERAAPPRPPLSSAGRPSPAGGPGALSARGGGCGWVAARAPLALAFSSRVPSSSPSFFYFWPPPPPPPPSFLPSSSAFHLPVRLPGREGAAAAAAAGGGGDAGGGGGGGQEAAPLSVPTSSSHRGGGGSGGGRRRLFLSPALQGLLLPARAGPRPPPPPRLPLGQAARRAGSPGFPGAGPGGGGQTPRRPQGASFALAAAAALLFGSDMEDGPSNNASCFRRLTECFLSPSLTDEKVKAYLSLHPQVLDEFVSESVSAETVEKWLKRKNNKSEDESAPKEVSRYQDTNMQGVVYELNSYIEQRLDTGGDNQLLLYELSSIIKIATKADGFALYFLGECNNSLCIFTPPGIKEGKPRLIPAGPITQGTTVSAYVAKSRKTLLVEDILGDERFPRGTGLESGTRIQSVLCLPIVTAIGDLIGILELYRHWGKEAFCLSHQEVATANLAWASVAIHQVQVCRGLAKQTELNDFLLDVSKTYFDNIVAIDSLLEHIMIYAKNLVNADRCALFQVDHKNKELYSDLFDIGEEKEGKPVFKKTKEIRFSIEKGIAGQVARTGEVLNIPDAYADPRFNREVDLYTGYTTRNILCMPIVSRGSVIGVVQMVNKISGSAFSKTDENNFKMFAVFCALALHCANMYHRIRHSECIYRVTMEKLSYHSICTSEEWQGLMQFTLPVRLCKEIELFHFDIGPFENMWPGIFVYMVHRSCGTSCFELEKLCRFIMSVKKNYRRVPYHNWKHAVTVAHCMYAILQNNHTLFTDLERKGLLIACLCHDLDHRGFSNSYLQKFDHPLAALYSTSTMEQHHFSQTVSILQLEGHNIFSTLSSSEYEQVLEIIRKAIIATDLALYFGNRKQLEEMYQTGSLNLNNQSHRDRVIGLMMTACDLCSVTKLWPVTKLTANDIYAEFWAEGDEMKKLGIQPIPMMDRDKKDEVPQGQLGFYNAVAIPCYTTLTQILPPTEPLLKACRDNLSQWEKVIRGEETATWISSPSVAQKAAASED
  
Inhibitor
Name:
BDBM144713
Synonyms:
US8952037, 88
Type:
Small organic molecule
Emp. Form.:
C23H24N6O
Mol. Mass.:
400.4763
SMILES:
N#CC1CCN(CC1)c1nccnc1O[C@@H]1C[C@@H](C1)Nc1ccc2ccccc2n1 |r,wD:15.16,17.21,(-6.28,5.39,;-6.28,3.85,;-6.28,2.31,;-4.94,1.54,;-4.94,,;-6.28,-.77,;-7.61,,;-7.61,1.54,;-6.28,-2.31,;-7.61,-3.08,;-7.61,-4.62,;-6.28,-5.39,;-4.94,-4.62,;-4.94,-3.08,;-3.61,-2.31,;-2.28,-3.08,;-.79,-2.68,;-.39,-4.17,;-1.88,-4.57,;.94,-4.94,;2.28,-4.17,;2.28,-2.63,;3.61,-1.86,;4.94,-2.63,;6.28,-1.86,;7.61,-2.63,;7.61,-4.17,;6.28,-4.94,;4.94,-4.17,;3.61,-4.94,)|
Structure:
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